[1S-(1alpha,6alpha,7beta,7aalpha)]-6-acetoxy-6,7a-dihydro-4-[(isovaleryloxy)methyl]spiro[cyclopenta[c]pyran-7(1H),2'-oxiran]-1-yl isovalerate (CAS 31078-10-1) — formula C22H30O8, molecular weight 422.5; category organic chemicals.
| CAS Number | 31078-10-1 |
|---|---|
| Molecular Formula | C22H30O8 |
| Molecular Weight | 422.5 |
| LogP | 1.8 |
| Category | Organic Chemicals |
[1S-(1alpha,6alpha,7beta,7aalpha)]-6-acetoxy-6,7a-dihydro-4-[(isovaleryloxy)methyl]spiro[cyclopenta[c]pyran-7(1H),2'-oxiran]-1-yl isovalerate is a carbon-based organic compound with CAS registry number 31078-10-1 and molecular formula C22H30O8 (molecular weight 422.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 31078-10-1
Its molecular formula C22H30O8 comprises 22 C, 30 H, 8 O atoms.
Also known as: [1S-(1alpha,6alpha,7beta,7aalpha)]-6-acetoxy-6,7a-dihydro-4-[(isovaleryloxy)methyl]spiro[cyclopenta[c]pyran-7(1H),2'-oxiran]-1-yl isovalerate · [1S-(1α,6α,7β,7aα)]-6-乙酰氧基-6,7a-二氢-4-[(异戊酰氧基)甲基]螺[环戊[c]吡喃-7(1H),2'-环氧乙烷]-1-基异戊酸酯
Category: organic chemicals
The CAS registry number of [1S-(1alpha,6alpha,7beta,7aalpha)]-6-acetoxy-6,7a-dihydro-4-[(isovaleryloxy)methyl]spiro[cyclopenta[c]pyran-7(1H),2'-oxiran]-1-yl isovalerate is 31078-10-1.
Molecular formula C22H30O8, molecular weight 422.5.
It is also registered under: [1S-(1alpha,6alpha,7beta,7aalpha)]-6-acetoxy-6,7a-dihydro-4-[(isovaleryloxy)methyl]spiro[cyclopenta[c]pyran-7(1H),2'-oxiran]-1-yl isovalerate, [1S-(1α,6α,7β,7aα)]-6-乙酰氧基-6,7a-二氢-4-[(异戊酰氧基)甲基]螺[环戊[c]吡喃-7(1H),2'-环氧乙烷]-1-基异戊酸酯.
Category: Organic Chemicals.
Independent reference data for [1S-(1alpha,6alpha,7beta,7aalpha)]-6-acetoxy-6,7a-dihydro-4-[(isovaleryloxy)methyl]spiro[cyclopenta[c]pyran-7(1H),2'-oxiran]-1-yl isovalerate (CAS 31078-10-1), compiled from public chemistry databases.
| CAS 号 | 31078-10-1 |
|---|---|
| PubChem CID | 92275 |
| 分子式 | C22H30O8 |
| IUPAC 名称 | [(1S,6S,7R,7aS)-6-acetyloxy-1-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-4-yl]methyl 3-methylbutanoate |
| UNII（FDA） | X7YPE43M97 |
| Molecular Weight | 422.5 |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 11 |
| Exact Mass | 422.19406791 |
| Monoisotopic Mass | 422.19406791 |
| Topological Polar Surface Area | 101 |
| Heavy Atom Count | 30 |
Isovaltrate; 31078-10-1; DTXSID80185026; RefChem:1048318; DTXCID90107517; 250-454-0; EINECS 250-454-0; Isovaltrate/valtrate; CHEMBL249657; X7YPE43M97; SCHEMBL29862101; CHEBI:80745; FI137857; NS00029018; Q27149798
[1S-(1α,6α,7β,7aα)]-6-乙酰氧基-6,7a-二氢-4-[(异戊酰氧基)甲基]螺[环戊[c]吡喃-7(1H),2'-环氧乙烷]-1-基异戊酸酯 · CAS 31078-10-1 · C22H30O8. UNII X7YPE43M97.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: [1S-(1α,6α,7β,7aα)]-6-乙酰氧基-6,7a-二氢-4-[(异戊酰氧基)甲基]螺[环戊[c]吡喃-7(1H),2'-环氧乙烷]-1-基异戊酸酯